Crystal structure and Hirshfeld surface analysis of phenyl-alanine hydro-bromide.
5 affiliations
- 1Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska St. 64, Kyiv 01601, Ukraine.
- 2Department of Inorganic Polymers, Petru Poni Institute of Macromolecular Chemistry, Aleea Grigore Ghica Voda 41-A, Iasi 700487, Romania.
- 3Department of General and Inorganic Chemistry, National Technical University of Ukraine Igor Sikorsky Kyiv Polytechnic Institute, Beresteiskyi Pr. 37, Kyiv 03056, Ukraine.
- 4Bakul Institute for Superhard Materials, National Academy of Sciences of Ukraine, Avtozavodska St. 2, Kyiv 04074, Ukraine.
- 5Institute of Innovative Education of Kyiv National University of Construction and Architecture, 4 Osvity Street, Kyiv 03037, Ukraine.
Abstract
Amino acid salts represent a diverse class of mol-ecular solids in which ionic inter-actions and hy-dro-gen bonding between protonated amino acid species and counter-ions govern the formation of supra-molecular architectures. Phenyl-alanine hydro-bromide (systematic name: 1-carb-oxy-2-phenyl-ethan-1-aminium bromide, C9H12NO2+·Br-) crystallizes in the chiral ortho-rhom-bic space group P212121. Its structure is built from protonated phenyl-alaninium cations, which inter-act with bromide anions through a network of N-H⋯Br and O-H⋯Br hy-dro-gen bonds, forming bilayers propagating parallel to the ab plane, with the polar groups oriented toward the inter-ior of the bilayers. The crystal structure is additionally consolidated by three types of weak T-shaped C(sp2)-H⋯π inter-actions.
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BibTeX
@article{kucheriv2026crystal,
title = {{Crystal structure and Hirshfeld surface analysis of phenyl-alanine hydro-bromide.}},
author = {Olesia I Kucheriv and Alexandra Bargan and Vadim Potaskalov and Oleksii Brusylovets and Olena Prysiazhna},
journal = {Acta crystallographica. Section E, Crystallographic communications},
year = {2026},
month = oct,
doi = {10.1107/s2056989026010406},
url = {https://europepmc.org/article/MED/42997410},
note = {CC BY},
}
RIS
TY - JOUR
TI - Crystal structure and Hirshfeld surface analysis of phenyl-alanine hydro-bromide.
AU - Olesia I Kucheriv
AU - Alexandra Bargan
AU - Vadim Potaskalov
AU - Oleksii Brusylovets
AU - Olena Prysiazhna
PY - 2026
DA - 2026/10/20
JO - Acta crystallographica. Section E, Crystallographic communications
DO - 10.1107/s2056989026010406
UR - https://europepmc.org/article/MED/42997410
AB - Amino acid salts represent a diverse class of mol-ecular solids in which ionic inter-actions and hy-dro-gen bonding between protonated amino acid species and counter-ions govern the formation of supra-molecular architectures. Phenyl-alanine hydro-bromide (systematic name: 1-carb-oxy-2-phenyl-ethan-1-aminium bromide, C9H12NO2+·Br-) crystallizes in the chiral ortho-rhom-bic space group P212121. Its structure is built from protonated phenyl-alaninium cations, which inter-act with bromide anions through a network of N-H⋯Br and O-H⋯Br hy-dro-gen bonds, forming bilayers propagating parallel to the ab plane, with the polar groups oriented toward the inter-ior of the bilayers. The crystal structure is additionally consolidated by three types of weak T-shaped C(sp2)-H⋯π inter-actions.
SN - 2056-9890
ER -